[ICML 2023] Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction
☆26Nov 10, 2023Updated 2 years ago
Alternatives and similar repositories for Geo-DEG
Users that are interested in Geo-DEG are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆11Jan 21, 2019Updated 7 years ago
- ☆18Aug 5, 2023Updated 2 years ago
- A Python tool for parsing and analyzing electron density maps data available from the worldwide Protein Data Bank☆12Sep 28, 2023Updated 2 years ago
- [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation☆100Aug 29, 2023Updated 2 years ago
- Application for detecting functional groups of a molecules.☆17Jul 17, 2023Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Nov 14, 2023Updated 2 years ago
- TensorFlow Lite bindings for Node.js☆16Jan 6, 2023Updated 3 years ago
- a curvature model for the generation of tubes☆18Aug 17, 2022Updated 3 years ago
- Code for ICLR'24 Paper "Decoupling Weighing and Selecting for Integrating Multiple Graph Pre-training Tasks"☆10Mar 12, 2024Updated 2 years ago
- ☆17Feb 13, 2023Updated 3 years ago
- Molecular docking with Alchemical Interaction Grids☆30Nov 6, 2025Updated 6 months ago
- Neural Walk-on-Spheres☆22Jul 21, 2024Updated last year
- ☆42Mar 25, 2026Updated 2 months ago
- ☆26Dec 13, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- KDS software for Kinase Drug Selectivity☆11Jun 8, 2023Updated 2 years ago
- Easy & Pretrained SOTA Deep Learning for RNA strings☆12Apr 15, 2022Updated 4 years ago
- [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"☆16May 19, 2025Updated last year
- Multi-fidelity probability machine learning☆22Apr 25, 2026Updated last month
- MASS-SPEC ATTENDS TO DE NOVO MOLECULAR GENERATION☆20Sep 23, 2025Updated 8 months ago
- Learning with uncertainty for biological discovery and design☆34Mar 24, 2023Updated 3 years ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆30Feb 24, 2025Updated last year
- ☆20Mar 24, 2025Updated last year
- ☆65Jul 25, 2025Updated 10 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Nested Sampling code☆36May 11, 2026Updated 2 weeks ago
- ☆10Oct 28, 2022Updated 3 years ago
- Computational chemistry benchmark data sets for non-covalent interactions☆29Jan 13, 2025Updated last year
- Brain and body detectors for fetal MRI developed during my PhD☆11Sep 8, 2020Updated 5 years ago
- ☆11Sep 2, 2024Updated last year
- SvelteKit hash-based routing demo☆13Dec 21, 2024Updated last year
- Official implementation of paper: MolAE: Auto-Encoder Based Molecular Representation Learning With 3D Cloze Test Objective (icml 2024)☆12Jul 4, 2024Updated last year
- ☆10Jun 24, 2023Updated 2 years ago
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆27May 21, 2026Updated last week
- Guided Diffusion Model for Molecular Inverse Design☆20Nov 15, 2023Updated 2 years ago
- Code for the MSB publication: Exploring amino acid functions and positional subtypes in a deep mutational landscape☆10Jun 11, 2022Updated 3 years ago
- GPT (Generative Pre-trained Transformer) for de novo molecular design by enforcing specified targets☆21Aug 20, 2025Updated 9 months ago
- ☆17Jul 7, 2024Updated last year
- Deep learning AI for generating new molecules that bond to the COVID-19.☆12Sep 17, 2020Updated 5 years ago
- ☆30Oct 29, 2023Updated 2 years ago